1,1,1,4,4,5,5,5-octafluoropent-2-ene

• ChemBase ID: 94767
• Molecular Formular: C5H2F8
• Molecular Mass: 214.0566056
• Monoisotopic Mass: 214.00287582
• SMILES: FC(F)(F)/C=C/C(F)(F)C(F)(F)F
• Canonical SMILES: FC(/C=C/C(C(F)(F)F)(F)F)(F)F
• InChI: InChI=1S/C5H2F8/c6-3(7,5(11,12)13)1-2-4(8,9)10/h1-2H
• InChIKey: CVMVAHSMKGITAV-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: 1,1,1,4,4,5,5,5-octafluoropent-2-ene
• IUPAC Traditional name: 1,1,1,4,4,5,5,5-octafluoropent-2-ene
• Synonyms: 2H,3H-Octafluoropent-2-ene

Database IDs

• MDL Number: MFCD09998078
• PubChem SID: 162081421
• PubChem CID: 18520951

CALCULATED PROPERTIES

• H Acceptors: 0
• H Donor: 0
• LogD (pH = 5.5): 3.3095758
• LogD (pH = 7.4): 3.3095758
• Log P: 3.3095758
• Molar Refractivity: 27.8558 cm^3
• Polarizability: 9.563248 Å^3
• Polar Surface Area: 0.0 Å^2
• Rotatable Bonds: 3
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• Storage Warning: Flammable